CID 21738762

Methyl 2-(3,6-dioxopiperazin-2-yl)acetate

Structural Information

Molecular Formula
C7H10N2O4
SMILES
COC(=O)CC1C(=O)NCC(=O)N1
InChI
InChI=1S/C7H10N2O4/c1-13-6(11)2-4-7(12)8-3-5(10)9-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKey
FNJRVMKCXNKPKH-UHFFFAOYSA-N
Compound name
methyl 2-(3,6-dioxopiperazin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

186.06406 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 138.6
[M+Na]+ 209.05328 145.3
[M-H]- 185.05678 136.4
[M+NH4]+ 204.09788 154.1
[M+K]+ 225.02722 143.2
[M+H-H2O]+ 169.06132 132.1
[M+HCOO]- 231.06226 154.2
[M+CH3COO]- 245.07791 175.0
[M+Na-2H]- 207.03873 141.3
[M]+ 186.06351 134.5
[M]- 186.06461 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.